3SAY

Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Glycogen synthase kinase-3 beta	polymer	430	48228.6	2	UniProt (P49841) Pfam (PF00069) In PDB	Homo sapiens (human)	GSK-3 beta
2	A, B	(3Z)-N,N-diethyl-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide	non-polymer		412.5	2	Chemie (OFT)
3	A, B	MALONIC ACID	non-polymer		104.1	2	Chemie (MLA)
4	A	FORMIC ACID	non-polymer		46.0	1	Chemie (FMT)
5	B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
6		water	water		18.0	221	Chemie (HOH)

Sequence modifications

A, B: 1 - 420 (UniProt: P49841)

PDB	External Database	Details
Leu 421	-	expression tag
Glu 422	-	expression tag
His 423	-	expression tag
His 424	-	expression tag
His 425	-	expression tag
His 426	-	expression tag
His 427	-	expression tag
His 428	-	expression tag
His 429	-	expression tag
His 430	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	96457.3
Non-Polymers*	Number of molecules	6
	Total formula weight	1197.2
All*	Total formula weight	97654.5

*Water molecules are not included.